3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate
TL;DR: 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate (CAS 7472-85-7) is a chemical compound with molecular formula C23H18Br2O3 and molecular weight 499.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dibromo-1-oxo-1,3-diphenylbutan-2-yl) benzoate
Also Known As: 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate, (3,4-dibromo-1-oxo-1,3-diphenylbutan-2-yl) benzoate
| Molecular Formula | C23H18Br2O3 |
|---|---|
| Molecular Weight | 499.96 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.96228 |
| Heavy Atoms | 28 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 7472-85-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(C(CBr)(C2=CC=CC=C2)Br)OC(=O)C3=CC=CC=C3 |
| InChIKey | NLZAFGNKCZTZLP-UHFFFAOYSA-N |
Product Overview
3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate (CAS 7472-85-7), with molecular formula C23H18Br2O3 and molecular weight 499.96 g/mol. IUPAC: (3,4-dibromo-1-oxo-1,3-diphenylbutan-2-yl) benzoate.
Chemical Property Profile of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate
Property Insights of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate
The XLogP value of 6.1 indicates that 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate?
The CAS number of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate is 7472-85-7.
What is the molecular formula of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate?
The molecular formula of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate is C23H18Br2O3.
What is the molecular weight of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate?
The molecular weight of 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate is 499.96 g/mol.
Where can I buy 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate?
You can request a quote for 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dibromo-1-oxo-1,3-diphenylbutan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.